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Calculated Ionization Energy for for C2 (Carbon diatomic)

2009091408

G2

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -75.3598710     -75.8026970     0.4428260     0.0000000 75.8026970
cm-1   741.2     970.2     -229.0      
eV -2050.646 0.092 -2050.554 -2062.696 0.120 -2062.576 12.050 -0.028 12.022 0.000 2062.696
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).